4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

C20H16F3N5O3S — CID 25103806

IUPAC4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1
InChIInChI=1S/C20H16F3N5O3S/c21-20(22,23)31-15-5-3-14(4-6-15)17-12-26-19-10-9-18(27-28(17)19)25-11-13-1-7-16(8-2-13)32(24,29)30/h1-10,12H,11H2,(H,25,27)(H2,24,29,30)
InChIKeyVANWJDXKGJURKG-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.55
Rot. Bonds6

About 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (PubChem CID 25103806) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
PubChem CID25103806
Molecular FormulaC20H16F3N5O3S
Molecular Weight463.44 g/mol
Exact Mass463.09
IUPAC Name4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1
InChIInChI=1S/C20H16F3N5O3S/c21-20(22,23)31-15-5-3-14(4-6-15)17-12-26-19-10-9-18(27-28(17)19)25-11-13-1-7-16(8-2-13)32(24,29)30/h1-10,12H,11H2,(H,25,27)(H2,24,29,30)
InChIKeyVANWJDXKGJURKG-UHFFFAOYSA-N
XLogP3.55
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (CID 25103806) is 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)cc1.
What is the InChIKey of 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The InChIKey is VANWJDXKGJURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c21-20(22,23)31-15-5-3-14(4-6-15)17-12-26-19-10-9-18(27-28(17)19)25-11-13-1-7-16(8-2-13)32(24,29)30/h1-10,12H,11H2,(H,25,27)(H2,24,29,30).
What are the key properties of 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide has a molecular weight of 463.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 25103806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).